5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide

C18H27N3O2 — CID 119321734

IUPAC5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(NC(=O)C2(N)CCCCC2)cc1C(=O)NC(C)C
InChIInChI=1S/C18H27N3O2/c1-12(2)20-16(22)15-11-14(8-7-13(15)3)21-17(23)18(19)9-5-4-6-10-18/h7-8,11-12H,4-6,9-10,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyHROBTYNXZXNAQQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.73
Rot. Bonds4

About 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide

5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide (PubChem CID 119321734) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide
PubChem CID119321734
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(NC(=O)C2(N)CCCCC2)cc1C(=O)NC(C)C
InChIInChI=1S/C18H27N3O2/c1-12(2)20-16(22)15-11-14(8-7-13(15)3)21-17(23)18(19)9-5-4-6-10-18/h7-8,11-12H,4-6,9-10,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyHROBTYNXZXNAQQ-UHFFFAOYSA-N
XLogP2.73
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119337791
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279259
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119808581
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 60854804
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide (CID 119321734) is 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide is Cc1ccc(NC(=O)C2(N)CCCCC2)cc1C(=O)NC(C)C.
What is the InChIKey of 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is HROBTYNXZXNAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(2)20-16(22)15-11-14(8-7-13(15)3)21-17(23)18(19)9-5-4-6-10-18/h7-8,11-12H,4-6,9-10,19H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide?
5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 119321734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).